BDBM365584 US9868738, Example 20

SMILES C[C@@]1(NC(=N)c2cncnc2C1(F)F)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1

InChI Key InChIKey=VZPHLMJKNSNKJV-LJQANCHMSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 365584   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM365584(US9868738, Example 20)
Affinity DataKi:  33.3nMAssay Description: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM365584(US9868738, Example 20)
Affinity DataKi:  118nMAssay Description:Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent